Binding information for 3ith_ligand_1_2.mol2(FDBF06915)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ith_ligand_1_2.mol2 | 3ith | 0.770833 | -5.57 | c1cc(ncn1)CC | 8 |
Structure and binding mode of 3ith_ligand_1_2.mol2(FDBF06915)
Important binding residues for 3ith_ligand_1_2.mol2(FDBF06915)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ith | GLY231 | -0.40 | -0.22 | -0.62 | 0.15 | -0.47 |
| 3ith | TRP266 | -1.22 | 0.29 | -0.93 | -0.06 | -0.99 |
